5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-(3-methoxypiperidin-1-yl)pyridine

• ChemBase ID: 400658
• Molecular Formular: C16H20N4O2
• Molecular Mass: 300.3556
• Monoisotopic Mass: 300.1586259
• SMILES: n1c(noc1c1cnc(N2CC(OC)CCC2)cc1)C1CC1
• Canonical SMILES: COC1CCCN(C1)c1ccc(cn1)c1onc(n1)C1CC1
• InChI: InChI=1S/C16H20N4O2/c1-21-13-3-2-8-20(10-13)14-7-6-12(9-17-14)16-18-15(19-22-16)11-4-5-11/h6-7,9,11,13H,2-5,8,10H2,1H3
• InChIKey: XFOFWWZMBPJCIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-(3-methoxypiperidin-1-yl)pyridine
• IUPAC Traditional name: 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-(3-methoxypiperidin-1-yl)pyridine
• Synonyms: 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-(3-methoxy-1-piperidinyl)pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.9037962
• LogD (pH = 7.4): 2.9827955
• Log P: 2.9839065
• Molar Refractivity: 94.6392 cm^3
• Polarizability: 31.698696 Å^3
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.03
• LOG S: -3.96
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 3